Information card for entry 4071545

Structure parameters

• Formula: C30 H50 O Si4
• Calculated formula: C30 H50 O Si4
• SMILES: [Si@]1([Si](C)(C)C)(O[Si](C)(C)C)[C@@]([Si](C)(C)C)(CC(=C(C1)c1ccccc1)c1ccccc1)C(C)(C)C.[Si@@]1([Si](C)(C)C)(O[Si](C)(C)C)[C@]([Si](C)(C)C)(CC(=C(C1)c1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: Silicon−Carbon Unsaturated Compounds. 75. Thermal Isomerization of 2-Alkyl- and 2-Aryl-2-trimethylsiloxy-1,1-bis(trimethylsilyl)-1-silacyclohex-4-enes
• Authors of publication: Naka, Akinobu; Ueda, Shinsuke; Ohshita, Joji; Kunai, Atsutaka; Miura, Toshiko; Kobayashi, Hisayoshi; Ishikawa, Mitsuo
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 2922
• a: 18.4637 ± 0.0005 Å
• b: 16.9235 ± 0.0005 Å
• c: 18.3509 ± 0.0005 Å
• α: 90°
• β: 35.985 ± 0.0007°
• γ: 90°
• Cell volume: 3369.21 ± 0.17 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 6.475
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No